How to make the lammps code work well when the total line number is too long

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1

Dear all,

Recently I try to simulate the indentation using lammps with minimization. For example, I use 0.1 A each step, and the total indent depth is 100 A.
In order to output load and contact area, I have to write some sentences in each minimization (using awk method).
#INDENT DISTANCE,units nm: 0.00 nm

fix 2 all indent 10.0 sphere 88.00 88.00 130.40 50.0 units box
fix_modify 2 energy yes
variable depth equal 0.00
minimize 2.3e-16 1.0e-3 200000 200000
variable fload equal f_2[3]*1.6

2

Just now, I found that if I run lmp_serial, that’s ok. So I think the error occurs only when the MPI is used.

3

Just now, I found that if I run lmp_serial, that's ok. So I think the
error occurs only when the MPI is used.

​yes, but it is due to a limitation of your MPI implementation, not a
limitation of LAMMPS.
this issue should be easy to avoid, by avoiding I/O redirection and using
the -in flag instead.

axel.​

4

Thank axel very much.

在 2017-04-09 11:59:47，“Axel Kohlmeyer” <akohlmey@…24…> 写道：